2-cyclopropyl-6-N-methyl-4-N-phenylpyrimidine-4,6-diamine

C14H16N4 — CID 80956706

IUPAC2-cyclopropyl-6-N-methyl-4-N-phenylpyrimidine-4,6-diamine
SMILESCNc1cc(Nc2ccccc2)nc(C2CC2)n1
InChIInChI=1S/C14H16N4/c1-15-12-9-13(16-11-5-3-2-4-6-11)18-14(17-12)10-7-8-10/h2-6,9-10H,7-8H2,1H3,(H2,15,16,17,18)
InChIKeyQJKDZHCGZKYDPV-UHFFFAOYSA-N
MW240.31 g/mol
LogP3.14
Rot. Bonds4

About 2-cyclopropyl-6-N-methyl-4-N-phenylpyrimidine-4,6-diamine

2-cyclopropyl-6-N-methyl-4-N-phenylpyrimidine-4,6-diamine (PubChem CID 80956706) has the molecular formula C14H16N4 and a molecular weight of 240.31 g/mol. Its IUPAC name is 2-cyclopropyl-6-N-methyl-4-N-phenylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-cyclopropyl-6-N-methyl-4-N-phenylpyrimidine-4,6-diamine
PubChem CID80956706
Molecular FormulaC14H16N4
Molecular Weight240.31 g/mol
Exact Mass240.14
IUPAC Name2-cyclopropyl-6-N-methyl-4-N-phenylpyrimidine-4,6-diamine
SMILESCNc1cc(Nc2ccccc2)nc(C2CC2)n1
InChIInChI=1S/C14H16N4/c1-15-12-9-13(16-11-5-3-2-4-6-11)18-14(17-12)10-7-8-10/h2-6,9-10H,7-8H2,1H3,(H2,15,16,17,18)
InChIKeyQJKDZHCGZKYDPV-UHFFFAOYSA-N
XLogP3.14
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-6-methyl-N-phenylpyrimidin-4-amine
CID 163350504
4-N-(1,3-benzodioxol-5-yl)-2-cyclopropyl-6-N-methylpyrimidine-4,6-diamine
CID 80956811
2-cyclopropyl-4-N-(3,5-dichloro-4-fluorophenyl)-6-N-methylpyrimidine-4,6-diamine
CID 107580777
2-[[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]amino]-6-fluorobenzonitrile
CID 80960789
2-cyclopropyl-6-hydrazinyl-N-(3-methylsulfanylphenyl)pyrimidin-4-amine
CID 80969098
2-cyclopropyl-4-N-(3-methylphenyl)pyrimidine-4,6-diamine
CID 53214520
N-(3-chlorophenyl)-2-cyclopropyl-6-hydrazinylpyrimidin-4-amine
CID 80968707
2-cyclopropyl-N-methyl-6-[2-[(E)-prop-1-enyl]phenoxy]pyrimidin-4-amine
CID 80957766
2-cyclopropyl-6-N-ethyl-4-N-(4-methoxyphenyl)pyrimidine-4,6-diamine
CID 80957134
2-cyclopropyl-6-N-methyl-4-N-(2-methylcycloheptyl)pyrimidine-4,6-diamine
CID 80959584
4-bromo-2-[[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]amino]benzonitrile
CID 107801716
4-N-(4-chlorophenyl)-2-cyclopropyl-6-N-propylpyrimidine-4,6-diamine
CID 80955948

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-N-methyl-4-N-phenylpyrimidine-4,6-diamine?
The IUPAC name of 2-cyclopropyl-6-N-methyl-4-N-phenylpyrimidine-4,6-diamine (CID 80956706) is 2-cyclopropyl-6-N-methyl-4-N-phenylpyrimidine-4,6-diamine.
What is the SMILES notation for 2-cyclopropyl-6-N-methyl-4-N-phenylpyrimidine-4,6-diamine?
The canonical SMILES for 2-cyclopropyl-6-N-methyl-4-N-phenylpyrimidine-4,6-diamine is CNc1cc(Nc2ccccc2)nc(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-6-N-methyl-4-N-phenylpyrimidine-4,6-diamine?
The InChIKey is QJKDZHCGZKYDPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4/c1-15-12-9-13(16-11-5-3-2-4-6-11)18-14(17-12)10-7-8-10/h2-6,9-10H,7-8H2,1H3,(H2,15,16,17,18).
What are the key properties of 2-cyclopropyl-6-N-methyl-4-N-phenylpyrimidine-4,6-diamine?
2-cyclopropyl-6-N-methyl-4-N-phenylpyrimidine-4,6-diamine has a molecular weight of 240.31 g/mol, XLogP of 3.14, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-N-methyl-4-N-phenylpyrimidine-4,6-diamine is sourced from PubChem (CID 80956706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).